4-Methyl-1-phenylpentan-2-ol

HCID 62661CAS 7779-78-4

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Basic information

Standard SMILES
CC(C)CC(O)Cc1ccccc1
InChIKey
IUADYGVMSDKSMB-UHFFFAOYSA-N
Molecular formula
C12H18O
Average molar mass
178.275 g/mol
Monoisotopic mass
178.1357652

Names & identifiers

Preferred name
4-Methyl-1-phenylpentan-2-ol
IUPAC
4-Methyl-1-phenylpentan-2-ol
English name
4-Methyl-1-phenyl-2-pentanol
Molecular formula
C12H18O
Molecular weight
178.27

Names & synonyms

FEMA 2208ALPHA-ISOBUTYLPHENETHYL ALCOHOLBENZYLISOBUTYLCARBINOLbenzylisobutylmethylolISOBUTYL BENZYL CARBINOL4-methyl-1-phenylpentan-2α-Isobutylphenethyl alcoholα-Isobutylphenethyl alcohol4-methyl-1-phenylpentan-2-ol4-Methyl-1-phenyl-2-pentanol

Database identifiers

CAS
7779-78-4
PubChem CID
62661
DTXSID
DTXSID8047717
ChEMBL
CHEMBL3187810
ChEBI
CHEBI:197064
UNII
2SBL0E1I0N
EC Number
231-939-6
Nikkaji
J181.792B

Properties

Physicochemical properties

Boiling point
123 °C · 123 °C / 11mmHg
Density
0.95 · 0.95
refractive index
1.503 to · 1.5030 to 1.5070
FEMA
2208 · 2208 | ALPHA-ISOBUTYLPHENETHYL ALCOHOL
FLAVIS Number
2.065 · 02.065 | 4-Methyl-1-phenylpentan-2-ol
Flash point
110 °C · 110 °C

Safety & regulation

Safety data

PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
2
tsca
TSCA listed
rtecs
DA0513300
hs_code
2906290090
risk_code
22-36-52/53

Chemistry & industry

Applications · 2 items

Descriptionα-Isobutylphenethyl alcohol has a green, floral, somewhat herbaceous odor and a buttery, oily, caramellic flavor. May be prepared by reacting isobutyl aldehyde with benzyl magnesium chloride.

Usesα-Isobutylphenethyl alcohol is an excellent modifier in heavy and green floral fragrance types, in Oriental or Chypre bases, etc. It may form a significant basis of Honeysuckle, Freesia or variations of Rose or Muguet. It is used in flavor compositions for imitation Butter, Caramel, Chocolate, Fruit and Spice in concentrations equivalent to 50 ppm in the finished consumer product.

Preparation methods

PreparationBy reacting isobutyl aldehyde with benzyl magnesium chloride.

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

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